N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide

C26H23FN8O2S — CID 46223487

IUPACN-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2cccnc2s1
InChIInChI=1S/C26H23FN8O2S/c1-14-17(5-6-18(27)23(14)30-25(37)21-10-15-4-3-7-28-26(15)38-21)19-12-20(24(36)32-31-19)29-22-11-16-13-34(2)8-9-35(16)33-22/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)
InChIKeyVAGVVMNSGHHXHT-UHFFFAOYSA-N
MW530.59 g/mol
LogP4.13
Rot. Bonds5

About N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide

N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 46223487) has the molecular formula C26H23FN8O2S and a molecular weight of 530.59 g/mol. Its IUPAC name is N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID46223487
Molecular FormulaC26H23FN8O2S
Molecular Weight530.59 g/mol
Exact Mass530.16
IUPAC NameN-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2cccnc2s1
InChIInChI=1S/C26H23FN8O2S/c1-14-17(5-6-18(27)23(14)30-25(37)21-10-15-4-3-7-28-26(15)38-21)19-12-20(24(36)32-31-19)29-22-11-16-13-34(2)8-9-35(16)33-22/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)
InChIKeyVAGVVMNSGHHXHT-UHFFFAOYSA-N
XLogP4.13
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.59
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide (CID 46223487) is N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2cccnc2s1.
What is the InChIKey of N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VAGVVMNSGHHXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O2S/c1-14-17(5-6-18(27)23(14)30-25(37)21-10-15-4-3-7-28-26(15)38-21)19-12-20(24(36)32-31-19)29-22-11-16-13-34(2)8-9-35(16)33-22/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33).
What are the key properties of N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide?
N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 530.59 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46223487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).